8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Base Information

• Chemical Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
• CAS No.: 81864-62-2
• Molecular Formula: C₉H₁₀N₂O₄
• Molecular Weight: 210.189
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID10401246
• Wikidata: Q82204309
• Mol file: 81864-62-2.mol

Synonyms:8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine;81864-62-2;8-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-amine;7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine;MFCD02103699;Oprea1_141908;SCHEMBL10842418;SCHEMBL10845962;DTXSID10401246;AFALZDMHQHIVNC-UHFFFAOYSA-N;BCP33520;AKOS001133159;AS-31559;SY003731;CS-0233985;FT-0769854;EN300-13757;AB00734541-01;A864490;SR-01000070916;J-511192;SR-01000070916-1;7-amino-8-nitro-3,4-dihydro-1H-1,5-benzodioxepine;7-amino-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine;Z94598690;3,4-Dihydro-8-nitro-2h-Benzo[b][1,4]dioxepin-7-ylamine;8-Nitro-3 pound not4-dihydro-2H-1 pound not5-benzodioxepin-7-amine

Chemical Property of 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Chemical Property:

• Vapor Pressure: 2.62E-06mmHg at 25°C
• Boiling Point: 390.6°Cat760mmHg
• Flash Point: 190°C
• PSA: 90.30000
• Density: 1.399g/cm³
• LogP: 2.44270
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=C(C(=C2)N)[N+](=O)[O-])OC1

Technology Process of 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

There total 3 articles about 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

→ 7-amino-8-nitro-3,4-dihydro-2H-dibenzo<1,4>dioxepin (81864-62-2)

Guidance literature:

With iron; acetic acid; at 20 ℃; for 2h; Inert atmosphere; Reflux;

Reference yield: 48.0%

7,8-dinitro-3,4-dihydro-2H-benzo<1,4>dioxepin (135399-50-7) → 7-amino-8-nitro-3,4-dihydro-2H-dibenzo<1,4>dioxepin (81864-62-2)

Guidance literature:

With ammonium hydroxide; In ethanol; at 123 - 134 ℃; for 3h;

Reference yield:

7-acetamino-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine (81864-61-1) → 7-amino-8-nitro-3,4-dihydro-2H-dibenzo<1,4>dioxepin (81864-62-2)

Guidance literature:

With hydrogenchloride; In methanol; dichloromethane;

upstream raw materials:

7,8-dinitro-3,4-dihydro-2H-benzo<1,4>dioxepin

7-acetamino-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine